triangle PDBeMotif: 4p01  
  coner Sequences coner   coner 3D motifs coner   coner Ligand environment coner   coner Ligand bonds coner
   
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Enzyme   5.3.2.1   5.3.3.12
Classification isomerase/isomerase inhibitor    | release date: Wed, Feb 19, 2014
Title crystal structure analysis of macrophage migration inhibitor in complex with n-[(4-cyanophenyl)methyl]methanethioamide
Authors E.LOLIS, G.PANTOURIS
Method X-RAY DIFFRACTION (resolution: 2.07Å)
PDBe Citation   
Small molecules:    search IPA IPA binding statistics IPA   search 1ZW 1ZW binding statistics 1ZW   search GOL GOL binding statistics GOL   search CL CL binding statistics CL
Ligand bond colours:   *  covalent   *  ionic   *  hydrogen   *  electrostatic   *  van-der-waals   *  plane-atom   *  plane-plane   *  undefined  - Click here to show 5Å bonds
Chains A,B,C sequence:
PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLC
GLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
Residue colours:  hydrophilic   hydrophobic   intermediate 
Assembly 1     View the assembly/model: ( JMolViewer Download PDB file RasMol script viewer AstexViewer™@MSD-EBI )
Motif search   chain:    Sequence numbers: 
   Using:   φ/ψ    residues code    secondary structures   
 coordinates of:  Cαs Side-chain
 
      View the fragment: rasmol script JMol viewer
chain A : MACROPHAGE MIGRATION INHIBITORY FACTOR
member of: GENE3D:searchG3DSA_3.30.429.10PANTHER:searchPTHR11954/searchPTHR11954_SF4PFAM:searchPF01187PRODOM:searchPD004816PROSITE PATTERNS:searchPS01158, SUPERFAMILY:searchSSF55331UniProt:searchP14174
JMol viewer RasMol script viewer  CL 202C  ..                      *             *                                                                             
JMol viewer RasMol script viewer  1ZW 201B  ..                      |             |                                                         *                   
JMol viewer RasMol script viewer  IPA 202A  ..                      |             |                              ****                       |                   
JMol viewer RasMol script viewer  1ZW 201A  ..**                    |            *|                         **   ||||                       |                 * 
sec str:  ...eeeeee..hhhhh..hhhhhhhhhhhhhhh.hhhh.eeeee...eeee.......eeeeeeee...hhhhhhhhhhhhhhhhhhhhh.hhh.eeeeeeeehhh.eee..ee..
sequence :  ..PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
seq num:  ..1         11        21        31        41        51        61        71        81        91        101       111 
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..      | | | |||||||   |  |   | | |  |              | |             |   ^***|          ||||| |||      || ||  ^*** |
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..      | | | |||||||   |  |   ^** |  |              | |             |   ||  |          ||||| |||      || ||     | |
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..      | | | ^***|||   |  |   | | |  |              | |             |   ||  |          ||||| |||      || ||     | |
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..      | | |  || |||   |  |   | | |  |              | |             |   ||  |          |*******^      || ||     | |
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..      | | |  || |||   |  |   | | |  |              | |             ^*****  |          | ||| ||       || ||     | |
search RasMol script viewer Motif-ligand binding stats  MIF ..      | | |  || |||   |  |   | | |  |              | ***************   |   |          | ||| ||       || ||     | |
search RasMol script viewer Motif-ligand binding stats  betaturn ..      | | ********|   |  |   | | |  |              | |                 |   |          | |****|       ****|     | |
search RasMol script viewer Motif-ligand binding stats  nest ..      | | |  |  ***   |  |   *** |  |              | |                 |   |          *** |  |        |  |     | |
search RasMol script viewer Motif-ligand binding stats  niche ..      *** ****    |   |  |   |   ****              ***                 |   |              ****        ****     | |
search RasMol script viewer Motif-ligand binding stats  ststaple ..      | |         *****  *****                     | |                 *****                                   | |
search RasMol script viewer Motif-ligand binding stats  stturn ..      ***                                          ***                                                         ***

chain B : MACROPHAGE MIGRATION INHIBITORY FACTOR
member of: GENE3D:searchG3DSA_3.30.429.10PANTHER:searchPTHR11954/searchPTHR11954_SF4PFAM:searchPF01187PRODOM:searchPD004816PROSITE PATTERNS:searchPS01158, SUPERFAMILY:searchSSF55331UniProt:searchP14174
JMol viewer RasMol script viewer  CL 204B  ..                                               ****                                                               
JMol viewer RasMol script viewer  CL 203B  ..*                              *               ||||           **                                                  
JMol viewer RasMol script viewer  GOL 202B  ..|                              |               ||||           ||                                               * *
JMol viewer RasMol script viewer  1ZW 201B  ..**                             |   *           ||||           **                                               |*|
sec str:  ...eeeeee..hhhhh..hhhhhhhhhhhhhhh.hhhh.eeeee...eeee.......eeeeeeee...hhhhhhhhhhhhhhhhhhhhh.hhh.eeeeeeeehhh.eee..ee..
sequence :  ..PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
seq num:  ..1         11        21        31        41        51        61        71        81        91        101       111 
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..      | | | |||| |       |   | | |  |              | |             |   ^***|          ||||| |||      |||||  ^***  
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..      | | | |||| |       |   ^** |  |              | |             |   ||  |          ||||| |||      |||||        
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..      | | | ^*** |       |   | | |  |              | |             |   ||  |          ||||| |||      |||||        
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..      | | |  ||  |       |   | | |  |              | |             |   ||  |          |*******^      |||||        
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..      | | |  ||  |       |   | | |  |              | |             ^*****  |          | ||| ||       |||||        
search RasMol script viewer Motif-ligand binding stats  MIF ..      | | |  ||  |       |   | | |  |              | ***************   |   |          | ||| ||       |||||        
search RasMol script viewer Motif-ligand binding stats  asxmotif ..      | | |  ||  |       |   | | |  |              | |                 |   |          | ||| ||       *****        
search RasMol script viewer Motif-ligand binding stats  asxturn ..      | | |  ||  |       |   | | |  |              | |                 |   |          | ||| ||       ***||        
search RasMol script viewer Motif-ligand binding stats  betaturn ..      | | ********       |   | | |  |              | |                 |   |          | |****|       ****|        
search RasMol script viewer Motif-ligand binding stats  nest ..      | | |  |           |   *** |  |              | |                 |   |          *** |  |        |  |        
search RasMol script viewer Motif-ligand binding stats  niche ..      *** ****           |   | | ****              ***                 |   |              ****        ****        
search RasMol script viewer Motif-ligand binding stats  ststaple ..      | |                ***** |                   | |                 *****                                      
search RasMol script viewer Motif-ligand binding stats  stturn ..      ***                    ***                   ***                                                            

chain C : MACROPHAGE MIGRATION INHIBITORY FACTOR
member of: GENE3D:searchG3DSA_3.30.429.10PANTHER:searchPTHR11954/searchPTHR11954_SF4PFAM:searchPF01187PRODOM:searchPD004816PROSITE PATTERNS:searchPS01158, SUPERFAMILY:searchSSF55331UniProt:searchP14174
JMol viewer RasMol script viewer  CL 202C  ..                                               ****                                                               
JMol viewer RasMol script viewer  IPA 201C  ..                                               ||||                ****                                           
JMol viewer RasMol script viewer  CL 204B  ..                      *             * *        ||||                ||||                                           
JMol viewer RasMol script viewer  1ZW 201A  ..                      |             | |        ||||                ||||                       *                   
sec str:  ...eeeeee..hhhhh..hhhhhhhhhhhhhhh.hhhh.eeeee...eeee.......eeeeeee....hhhhhhhhhhhhhhhhhhhhh.hhh.eeeeeee.hhh.eee..ee..
sequence :  ..PMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
seq num:  ..1         11        21        31        41        51        61        71        81        91        101       111 
search RasMol script viewer Motif-ligand binding stats  ASN_GLYCOSYLATION ..      | | | |||||||   |  |   | | |  |              | |             |   ^***|          ||| |  ||      |||||  ^*** |
search RasMol script viewer Motif-ligand binding stats  PKC_PHOSPHO_SITE ..      | | | |||||||   |  |   ^** |  |              | |             |   ||  |          ||| |  ||      |||||     | |
search RasMol script viewer Motif-ligand binding stats  CK2_PHOSPHO_SITE ..      | | | ^***|||   |  |   | | |  |              | |             |   ||  |          ||| |  ||      |||||     | |
search RasMol script viewer Motif-ligand binding stats  TYR_PHOSPHO_SITE ..      | | |  || |||   |  |   | | |  |              | |             |   ||  |          |*******^      |||||     | |
search RasMol script viewer Motif-ligand binding stats  MYRISTYL ..      | | |  || |||   |  |   | | |  |              | |             ^*****  |          | | |  |       |||||     | |
search RasMol script viewer Motif-ligand binding stats  MIF ..      | | |  || |||   |  |   | | |  |              | ***************   |   |          | | |  |       |||||     | |
search RasMol script viewer Motif-ligand binding stats  asxmotif ..      | | |  || |||   |  |   | | |  |              | |                 |   |          | | |  |       *****     | |
search RasMol script viewer Motif-ligand binding stats  asxturn ..      | | |  || |||   |  |   | | |  |              | |                 |   |          | | |  |       ***||     | |
search RasMol script viewer Motif-ligand binding stats  betaturn ..      | | ********|   |  |   | | |  |              | |                 |   |          | | |  |       ****|     | |
search RasMol script viewer Motif-ligand binding stats  nest ..      | | |  |  ***   |  |   *** |  |              | |                 |   |          *** |  |        |  |     | |
search RasMol script viewer Motif-ligand binding stats  niche ..      *** ****    |   |  |   | | ****              ***                 |   |              ****        ****     | |
search RasMol script viewer Motif-ligand binding stats  ststaple ..      | |         *****  ***** |                                       *****                                   | |
search RasMol script viewer Motif-ligand binding stats  stturn ..      ***                    ***                                                                               ***

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